In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 17 | Yes |
Popular Name: (1S)-N-ethyl-N-isopropyl-1-(3-methoxyphenyl)ethane-1,2-diamine (1S)-N-ethyl-N-isopropyl-1-(3-me…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.81 | 4.81 | -118.75 | 4 | 3 | 2 | 41 | 238.375 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.81 | 3.81 | -44.91 | 3 | 3 | 1 | 40 | 237.367 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.81 | 5.12 | -28.49 | 3 | 3 | 1 | 40 | 237.367 | 6 | ↓ |